tert-butyl 3-[1-(2-methoxyethoxyamino)ethyl]piperidine-1-carboxylate

C15H30N2O4 — CID 82710558

IUPACtert-butyl 3-[1-(2-methoxyethoxyamino)ethyl]piperidine-1-carboxylate
SMILESCOCCONC(C)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H30N2O4/c1-12(16-20-10-9-19-5)13-7-6-8-17(11-13)14(18)21-15(2,3)4/h12-13,16H,6-11H2,1-5H3
InChIKeyMUFMORBXXDYBGK-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.19
Rot. Bonds6

About tert-butyl 3-[1-(2-methoxyethoxyamino)ethyl]piperidine-1-carboxylate

tert-butyl 3-[1-(2-methoxyethoxyamino)ethyl]piperidine-1-carboxylate (PubChem CID 82710558) has the molecular formula C15H30N2O4 and a molecular weight of 302.42 g/mol. Its IUPAC name is tert-butyl 3-[1-(2-methoxyethoxyamino)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-(2-methoxyethoxyamino)ethyl]piperidine-1-carboxylate
PubChem CID82710558
Molecular FormulaC15H30N2O4
Molecular Weight302.42 g/mol
Exact Mass302.22
IUPAC Nametert-butyl 3-[1-(2-methoxyethoxyamino)ethyl]piperidine-1-carboxylate
SMILESCOCCONC(C)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H30N2O4/c1-12(16-20-10-9-19-5)13-7-6-8-17(11-13)14(18)21-15(2,3)4/h12-13,16H,6-11H2,1-5H3
InChIKeyMUFMORBXXDYBGK-UHFFFAOYSA-N
XLogP2.19
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-[1-(ethoxyamino)ethyl]piperidine-1-carboxylate
CID 82709755
tert-butyl 3-[1-(3-methoxypropylamino)ethyl]piperidine-1-carboxylate
CID 63585875
tert-butyl 3-[1-(propan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 55212997
tert-butyl 3-[1-(1,3-dihydroxypropan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 65312713
tert-butyl 3-[1-(cyclohexylamino)ethyl]piperidine-1-carboxylate
CID 103649308
2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]ethylamino]acetic acid
CID 63586245
tert-butyl 3-[1-(2,2-dimethylbutylamino)ethyl]piperidine-1-carboxylate
CID 103460936
tert-butyl 3-[1-(2-aminoethylamino)ethyl]piperidine-1-carboxylate
CID 63586966
tert-butyl 3-[1-[(4-hydroxy-3-methylbutan-2-yl)amino]ethyl]piperidine-1-carboxylate
CID 103948438
tert-butyl 3-[1-(2-ethoxyethylamino)ethyl]piperidine-1-carboxylate
CID 63586965
tert-butyl 3-[1-(methanesulfonamido)ethyl]piperidine-1-carboxylate
CID 142582802
tert-butyl 3-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]piperidine-1-carboxylate
CID 104980417

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-(2-methoxyethoxyamino)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[1-(2-methoxyethoxyamino)ethyl]piperidine-1-carboxylate (CID 82710558) is tert-butyl 3-[1-(2-methoxyethoxyamino)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-(2-methoxyethoxyamino)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[1-(2-methoxyethoxyamino)ethyl]piperidine-1-carboxylate is COCCONC(C)C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[1-(2-methoxyethoxyamino)ethyl]piperidine-1-carboxylate?
The InChIKey is MUFMORBXXDYBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O4/c1-12(16-20-10-9-19-5)13-7-6-8-17(11-13)14(18)21-15(2,3)4/h12-13,16H,6-11H2,1-5H3.
What are the key properties of tert-butyl 3-[1-(2-methoxyethoxyamino)ethyl]piperidine-1-carboxylate?
tert-butyl 3-[1-(2-methoxyethoxyamino)ethyl]piperidine-1-carboxylate has a molecular weight of 302.42 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-(2-methoxyethoxyamino)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 82710558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).